NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
30738 |
1d8b   |
4445 | cing | recoord | 2-parsed | STAR | dihedral angle | 51 |
data_1d8b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d8b
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1d8b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d8b
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1d8b "Master copy" parsed_1d8b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d8b
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1d8b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d8b 1
1 1d8b.mr . . XPLOR/CNS 2 distance NOE ambi 1890 parsed_1d8b 1
1 1d8b.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1d8b 1
1 1d8b.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 34 parsed_1d8b 1
1 1d8b.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d8b 1
1 1d8b.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1d8b 1
1 1d8b.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d8b 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1d8b
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1d8b 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1d8b 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1d8b 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1d8b 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1d8b 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1d8b 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1d8b 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1d8b 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1d8b 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1d8b 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1d8b 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1d8b 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1d8b 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1d8b 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1d8b 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1d8b 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1d8b 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1d8b 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1d8b 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1d8b 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1d8b 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1d8b 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1d8b 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1d8b 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1d8b 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1d8b 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1d8b 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1d8b 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1d8b 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1d8b 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1d8b 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1d8b 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1d8b 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1d8b 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1d8b 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1d8b 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1d8b 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1d8b 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_1d8b 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_1d8b 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_1d8b 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_1d8b 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_1d8b 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_1d8b 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1d8b 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1d8b 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_1d8b 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1d8b 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1d8b 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_1d8b 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1d8b 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
==> hnha.J_ed: phi dih. restraints in sec. structure regions if J <= Ja or J >= Jb
13 J= 3.91
;
1 1 2 15 parsed_1d8b 1
2 "14 J= 2.66" 6 1 6 15 parsed_1d8b 1
3 "15 J= 4.89" 10 1 10 15 parsed_1d8b 1
4 "16 J= 5.28" 14 1 14 15 parsed_1d8b 1
5 "17 J= 5.04" 18 1 18 15 parsed_1d8b 1
6 "18 J= 4.73" 22 1 22 15 parsed_1d8b 1
7 "19 J= 4.33" 26 1 26 15 parsed_1d8b 1
8 "20 J= 4.41" 30 1 30 15 parsed_1d8b 1
9 "21 J= 6.25" 34 1 34 15 parsed_1d8b 1
10 "22 J= 6.19" 38 1 38 15 parsed_1d8b 1
11 "23 J= 4.57" 42 1 42 15 parsed_1d8b 1
12 "24 J= 4.52" 46 1 46 15 parsed_1d8b 1
13 "25 J= 4.97" 50 1 50 15 parsed_1d8b 1
14 "26 J= 4.01" 54 1 54 15 parsed_1d8b 1
15 "27 J= 5.39" 58 1 58 15 parsed_1d8b 1
16 "28 J= 5.46" 62 1 62 15 parsed_1d8b 1
17 "29 J= 5.04" 66 1 66 15 parsed_1d8b 1
18 "40 J= 3.15" 70 1 70 15 parsed_1d8b 1
19 "43 J= 4.26" 74 1 74 15 parsed_1d8b 1
20 "44 J= 0.63" 78 1 78 15 parsed_1d8b 1
21 "46 J= 4.75" 82 1 82 15 parsed_1d8b 1
22 "47 J= 4.32" 86 1 86 15 parsed_1d8b 1
23 "49 J= 4.53" 90 1 90 15 parsed_1d8b 1
24 "50 J= 5.22" 94 1 94 15 parsed_1d8b 1
25 "51 J= 6.59" 98 1 98 15 parsed_1d8b 1
26 "59 J= 6.56" 102 1 102 15 parsed_1d8b 1
27 "60 J= 5.12" 106 1 106 15 parsed_1d8b 1
28 "61 J= 4.80" 110 1 110 15 parsed_1d8b 1
29 "67 J= 4.46" 114 1 114 15 parsed_1d8b 1
30 "68 J= 2.54" 118 1 118 15 parsed_1d8b 1
31 "69 J= 2.16" 122 1 122 15 parsed_1d8b 1
32 "71 J= 3.27" 126 1 126 15 parsed_1d8b 1
33 "72 J= 5.46" 130 1 130 15 parsed_1d8b 1
34 "74 J= 2.81" 134 1 134 15 parsed_1d8b 1
35 "75 J= 1.56" 138 1 138 15 parsed_1d8b 1
36 "79 J= 5.29" 142 1 142 15 parsed_1d8b 1
37 "80 J= 4.91" 146 1 146 15 parsed_1d8b 1
38 "81 J= 4.74" 150 1 150 15 parsed_1d8b 1
39 "82 J= 4.45" 154 1 154 15 parsed_1d8b 1
40 "83 J= 6.22" 158 1 158 15 parsed_1d8b 1
41 "84 J= 4.85" 162 1 162 15 parsed_1d8b 1
42 "85 J= 4.45" 166 1 166 15 parsed_1d8b 1
43 "86 J= 6.12" 170 1 170 15 parsed_1d8b 1
44 "88 J= 6.25" 174 1 174 15 parsed_1d8b 1
45 "15 LEU 3J(N,CG)= 1.77 trans" 178 1 178 38 parsed_1d8b 1
46 "16 ARG 3J(N,CG)= 1.78 trans" 182 1 182 38 parsed_1d8b 1
47 "21 ARG 3J(N,CG)= 1.51 trans" 186 1 186 38 parsed_1d8b 1
48 "23 ARG 3J(N,CG)= 1.95 trans" 190 1 190 38 parsed_1d8b 1
49 "25 LEU 3J(N,CG)= 1.71 trans" 194 1 194 38 parsed_1d8b 1
50 "32 ARG 3J(N,CG)= 1.65 trans" 198 1 198 38 parsed_1d8b 1
51 "41 MET 3J(N,CG)= 1.67 trans" 202 1 202 38 parsed_1d8b 1
stop_
save_
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